Package evaluation of FreeBird on Julia 1.11.4 (a71dd056e0*) started at 2025-04-08T18:45:43.169 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.96s ################################################################################ # Installation # Installing FreeBird... Resolving package versions... Installed FreeBird ─ v0.1.0 Updating `~/.julia/environments/v1.11/Project.toml` [b4936512] + FreeBird v0.1.0 Updating `~/.julia/environments/v1.11/Manifest.toml` [a4c015fc] + ANSIColoredPrinters v0.0.1 [1520ce14] + AbstractTrees v0.4.5 [66dad0bd] + AliasTables v1.1.3 [a963bdd2] + AtomsBase v0.5.1 [1692102d] + AtomsIO v0.3.0 [336ed68f] + CSV v0.10.15 [46823bd8] + Chemfiles v0.10.42 [944b1d66] + CodecZlib v0.7.8 [861a8166] + Combinatorics v1.0.2 [34da2185] + Compat v4.16.0 [a8cc5b0e] + Crayons v4.1.1 [9a962f9c] + DataAPI v1.16.0 [a93c6f00] + DataFrames v1.7.0 [864edb3b] + DataStructures v0.18.22 [e2d170a0] + DataValueInterfaces v1.0.0 [31c24e10] + Distributions v0.25.118 [ffbed154] + DocStringExtensions v0.9.4 [e30172f5] + Documenter v1.10.1 [35a29f4d] + DocumenterTools v0.1.20 [352459e4] + ExtXYZ v0.2.2 [48062228] + FilePathsBase v0.9.24 [1a297f60] + FillArrays v1.13.0 [b4936512] + FreeBird v0.1.0 [d7ba0133] + Git v1.3.1 [708ec375] + Gumbo v0.8.3 [34004b35] + HypergeometricFunctions v0.3.28 [b5f81e59] + IOCapture v0.2.5 [842dd82b] + InlineStrings v1.4.3 [41ab1584] + InvertedIndices v1.3.1 [92d709cd] + IrrationalConstants v0.2.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [b964fa9f] + LaTeXStrings v1.4.0 [0e77f7df] + LazilyInitializedFields v1.3.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [d0879d2d] + MarkdownAST v0.1.2 [e1d29d7a] + Missings v1.2.0 [bac558e1] + OrderedCollections v1.8.0 [90014a1f] + PDMats v0.11.33 [d96e819e] + Parameters v0.12.3 [69de0a69] + Parsers v2.8.1 [7b2266bf] + PeriodicTable v1.2.1 [2dfb63ee] + PooledArrays v1.4.3 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [08abe8d2] + PrettyTables v2.4.0 [43287f4e] + PtrArrays v1.3.0 [1fd47b50] + QuadGK v2.11.2 [189a3867] + Reexport v1.2.2 [2792f1a3] + RegistryInstances v0.1.0 [ae029012] + Requires v1.3.1 [79098fc4] + Rmath v0.8.0 [322a6be2] + Sass v0.2.0 [91c51154] + SentinelArrays v1.4.8 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.0 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.0 [2913bbd2] + StatsBase v0.34.4 [4c63d2b9] + StatsFuns v1.4.0 [892a3eda] + StringManipulation v0.4.1 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [3bb67fe8] + TranscodingStreams v0.11.3 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.22.0 [a7773ee8] + UnitfulAtomic v1.0.0 [ea10d353] + WeakRefStrings v1.4.2 [76eceee3] + WorkerUtilities v1.6.1 [78a364fa] + Chemfiles_jll v0.10.4+0 [2e619515] + Expat_jll v2.6.5+0 [f8c6e375] + Git_jll v2.49.0+0 [528830af] + Gumbo_jll v0.10.2+0 [94ce4f54] + Libiconv_jll v1.18.0+0 [9bd350c2] + OpenSSH_jll v9.9.2+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [6ecdc6fc] + extxyz_jll v0.1.3+0 [cdc7adba] + libcleri_jll v0.12.1+3 [47bcb7c8] + libsass_jll v3.6.6+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.11.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.2.0 [44cfe95a] + Pkg v1.11.0 [de0858da] + Printf v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.11.0 [f489334b] + StyledStrings v1.11.0 [4607b0f0] + SuiteSparse [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] + LibCURL_jll v8.6.0+0 [e37daf67] + LibGit2_jll v1.7.2+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.6+0 [14a3606d] + MozillaCACerts_jll v2023.12.12 [4536629a] + OpenBLAS_jll v0.3.27+1 [05823500] + OpenLibm_jll v0.8.5+0 [efcefdf7] + PCRE2_jll v10.42.0+1 [bea87d4a] + SuiteSparse_jll v7.7.0+0 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 [8e850ede] + nghttp2_jll v1.59.0+0 [3f19e933] + p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Installation completed after 7.06s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 164.53s ################################################################################ # Testing # Testing FreeBird Status `/tmp/jl_GgaI5N/Project.toml` [a963bdd2] AtomsBase v0.5.1 [1692102d] AtomsIO v0.3.0 [336ed68f] CSV v0.10.15 [861a8166] Combinatorics v1.0.2 [a93c6f00] DataFrames v1.7.0 [31c24e10] Distributions v0.25.118 [e30172f5] Documenter v1.10.1 [35a29f4d] DocumenterTools v0.1.20 [352459e4] ExtXYZ v0.2.2 [b4936512] FreeBird v0.1.0 [d96e819e] Parameters v0.12.3 [189a3867] Reexport v1.2.2 [90137ffa] StaticArrays v1.9.13 [10745b16] Statistics v1.11.1 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [37e2e46d] LinearAlgebra v1.11.0 [9a3f8284] Random v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_GgaI5N/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [66dad0bd] AliasTables v1.1.3 [a963bdd2] AtomsBase v0.5.1 [1692102d] AtomsIO v0.3.0 [336ed68f] CSV v0.10.15 [46823bd8] Chemfiles v0.10.42 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.0.2 [34da2185] Compat v4.16.0 [a8cc5b0e] Crayons v4.1.1 [9a962f9c] DataAPI v1.16.0 [a93c6f00] DataFrames v1.7.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [31c24e10] Distributions v0.25.118 [ffbed154] DocStringExtensions v0.9.4 [e30172f5] Documenter v1.10.1 [35a29f4d] DocumenterTools v0.1.20 [352459e4] ExtXYZ v0.2.2 [48062228] FilePathsBase v0.9.24 [1a297f60] FillArrays v1.13.0 [b4936512] FreeBird v0.1.0 [d7ba0133] Git v1.3.1 [708ec375] Gumbo v0.8.3 [34004b35] HypergeometricFunctions v0.3.28 [b5f81e59] IOCapture v0.2.5 [842dd82b] InlineStrings v1.4.3 [41ab1584] InvertedIndices v1.3.1 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [b964fa9f] LaTeXStrings v1.4.0 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [d0879d2d] MarkdownAST v0.1.2 [e1d29d7a] Missings v1.2.0 [bac558e1] OrderedCollections v1.8.0 [90014a1f] PDMats v0.11.33 [d96e819e] Parameters v0.12.3 [69de0a69] Parsers v2.8.1 [7b2266bf] PeriodicTable v1.2.1 [2dfb63ee] PooledArrays v1.4.3 ⌅ [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [08abe8d2] PrettyTables v2.4.0 [43287f4e] PtrArrays v1.3.0 [1fd47b50] QuadGK v2.11.2 [189a3867] Reexport v1.2.2 [2792f1a3] RegistryInstances v0.1.0 [ae029012] Requires v1.3.1 [79098fc4] Rmath v0.8.0 [322a6be2] Sass v0.2.0 [91c51154] SentinelArrays v1.4.8 [a2af1166] SortingAlgorithms v1.2.1 [276daf66] SpecialFunctions v2.5.0 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.7.0 [2913bbd2] StatsBase v0.34.4 [4c63d2b9] StatsFuns v1.4.0 [892a3eda] StringManipulation v0.4.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.0 [3bb67fe8] TranscodingStreams v0.11.3 [3a884ed6] UnPack v1.0.2 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [ea10d353] WeakRefStrings v1.4.2 [76eceee3] WorkerUtilities v1.6.1 [78a364fa] Chemfiles_jll v0.10.4+0 [2e619515] Expat_jll v2.6.5+0 [f8c6e375] Git_jll v2.49.0+0 [528830af] Gumbo_jll v0.10.2+0 [94ce4f54] Libiconv_jll v1.18.0+0 [9bd350c2] OpenSSH_jll v9.9.2+0 [458c3c95] OpenSSL_jll v3.0.16+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [f50d1b31] Rmath_jll v0.5.1+0 [6ecdc6fc] extxyz_jll v0.1.3+0 [cdc7adba] libcleri_jll v0.12.1+3 [47bcb7c8] libsass_jll v3.6.6+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [f43a241f] Downloads v1.6.0 [7b1f6079] FileWatching v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.11.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.2.0 [44cfe95a] Pkg v1.11.0 [de0858da] Printf v1.11.0 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.11.0 [f489334b] StyledStrings v1.11.0 [4607b0f0] SuiteSparse [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] LibCURL_jll v8.6.0+0 [e37daf67] LibGit2_jll v1.7.2+0 [29816b5a] LibSSH2_jll v1.11.0+1 [c8ffd9c3] MbedTLS_jll v2.28.6+0 [14a3606d] MozillaCACerts_jll v2023.12.12 [4536629a] OpenBLAS_jll v0.3.27+1 [05823500] OpenLibm_jll v0.8.5+0 [efcefdf7] PCRE2_jll v10.42.0+1 [bea87d4a] SuiteSparse_jll v7.7.0+0 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 [8e850ede] nghttp2_jll v1.59.0+0 [3f19e933] p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 9 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 3 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 6 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractHamiltonians Tests | 34 34 14.5s ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractLiveSets Tests | 49 49 34.5s ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractPotentials Tests | 106 106 4.8s Test Summary: | Pass Total Time AbstractWalkers Tests | 280 280 19.8s Test Summary: | Pass Total Time AnalysisTools.jl tests | 23 23 9.4s ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time Energy Evaluation Tests | 70 70 10.3s Test Summary: | Pass Total Time Monte Carlo Moves tests | 99 99 10.4s ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 3 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 6 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. [ Info: Swap move performed at iter: 2, accepted: true [ Info: iter: 2, emax: 4.294887185096741 eV, step_size: 0.121 [ Info: iter: 4, emax: 0.12223391373535807 eV, step_size: 0.1464 [ Info: iter: 7, emax: -0.00873513727131747 eV, step_size: 0.121 [ Info: iter: 9, emax: -0.015144178682977662 eV, step_size: 0.1464 [ Info: iter: 11, emax: -0.03256655610237843 eV, step_size: 0.1772 [ Info: iter: 13, emax: -0.03537313013342671 eV, step_size: 0.2144 [ Info: iter: 15, emax: -0.08620402447225535 eV, step_size: 0.2358 [ Info: iter: 17, emax: -0.09670946791062386 eV, step_size: 0.1 [ Info: iter: 19, emax: -0.09856105050172012 eV, step_size: 0.1 [ Info: iter: 1, emax: -1.0399999999999996 [ Info: iter: 2, emax: -1.0399999999999996 [ Info: iter: 3, emax: -1.0399999999999996 [ Info: iter: 4, emax: -1.049994993051512 [ Info: iter: 5, emax: -1.051872479073823 [ Info: iter: 6, emax: -1.0546468108306382 [ Info: iter: 7, emax: -1.064511503573656 [ Info: iter: 8, emax: -1.064511503573656 [ Info: iter: 9, emax: -1.0663829511002418 [ Info: iter: 10, emax: -1.0816985802488646 [ Info: iter: 11, emax: -1.0816985802488646 [ Info: iter: 12, emax: -1.0838840260995086 [ Info: iter: 13, emax: -1.0848083262383392 [ Info: iter: 14, emax: -1.0868491854430735 [ Info: iter: 15, emax: -1.087150781933498 [ Info: iter: 16, emax: -1.0878114664309804 [ Info: iter: 17, emax: -1.0879174751450458 [ Info: iter: 18, emax: -1.087988771619422 [ Info: iter: 19, emax: -1.0887503763781294 [ Info: iter: 20, emax: -1.0890917819430348 [ Info: iter: 21, emax: -1.0893857975202035 [ Info: iter: 22, emax: -1.0895502920354623 [ Info: Temperature: 1000.0 K, Equilibration energy: -0.03718719016584178 eV, Variance: 0.001401, Acceptance rate: 0.965, Step size: 0.2288 [ Info: Temperature: 1000.0 K, Energy: -0.0014671965993639225 eV, Variance: 1.196e-6, Cv: 1.388e-8, Acceptance rate: 1.0, Step size: 0.2517 [ Info: Temperature: 900.0 K, Equilibration energy: -7.147076790767913e-5 eV, Variance: 1.246e-9, Acceptance rate: 1.0, Step size: 0.2769 [ Info: Temperature: 900.0 K, Energy: -9.26650405073338e-5 eV, Variance: 4.209e-9, Cv: 6.03e-11, Acceptance rate: 1.0, Step size: 0.3045 [ Info: Temperature: 800.0 K, Equilibration energy: -0.00015643175715557444 eV, Variance: 3.219e-8, Acceptance rate: 1.0, Step size: 0.335 [ Info: Temperature: 800.0 K, Energy: -6.818034677927098e-5 eV, Variance: 3.116e-9, Cv: 5.651e-11, Acceptance rate: 1.0, Step size: 0.3685 [ Info: Temperature: 700.0 K, Equilibration energy: -8.709204593530764e-5 eV, Variance: 1.018e-8, Acceptance rate: 1.0, Step size: 0.4053 [ Info: Temperature: 700.0 K, Energy: -0.000164524687137731 eV, Variance: 1.573e-8, Cv: 3.726e-10, Acceptance rate: 1.0, Step size: 0.4459 [ Info: Temperature: 600.0 K, Equilibration energy: -0.00023441987595346876 eV, Variance: 9.964e-8, Acceptance rate: 1.0, Step size: 0.4905 [ Info: Temperature: 600.0 K, Energy: -0.0003047477908279399 eV, Variance: 2.855e-7, Cv: 9.204e-9, Acceptance rate: 1.0, Step size: 0.5395 [ Info: Temperature: 500.0 K, Equilibration energy: -0.03486495252379652 eV, Variance: 0.001423, Acceptance rate: 0.874, Step size: 0.5935 [ Info: Temperature: 500.0 K, Energy: -0.022489423045668894 eV, Variance: 0.001131, Cv: 5.252e-5, Acceptance rate: 0.927, Step size: 0.6528 [ Info: Temperature: 1000.0 K, Energy: -0.08762250000000144 eV, Cv: 1.4146992246944108e-7, Acceptance rate: 0.983 [ Info: Temperature: 900.0 K, Energy: -0.08763000000000144 eV, Cv: 1.7435817518258084e-7, Acceptance rate: 0.982 [ Info: Temperature: 800.0 K, Energy: -0.08764500000000144 eV, Cv: 2.199165629835742e-7, Acceptance rate: 0.98 [ Info: Temperature: 700.0 K, Energy: -0.08768250000000144 eV, Cv: 2.8472434096766065e-7, Acceptance rate: 0.976 [ Info: Temperature: 600.0 K, Energy: -0.08778750000000152 eV, Cv: 3.7747898779561587e-7, Acceptance rate: 0.968 [ Info: Temperature: 500.0 K, Energy: -0.0877200000000015 eV, Cv: 5.530023338449102e-7, Acceptance rate: 0.966 [ Info: Iteration: 1, f = 2.718281828459045, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6487212707001282, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6487212707001282, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2840254166877414, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2840254166877414, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1331484530668263, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1331484530668263, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0644944589178595, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0644944589178595, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0317434074991028, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0317434074991028, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0157477085866857, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0157477085866857, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.007843097206448, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.007843097206448, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0039138893383477, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0039138893383477, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019550335910028, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019550335910028, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009770394924165, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0009770394924165, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0004884004786945, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0004884004786945, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0002441704297478, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0002441704297478, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0001220777633837, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0001220777633837, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000061037018933, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000061037018933, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000030518043791, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000030518043791, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000152589054783, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000152589054783, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000007629423635, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000007629423635, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000038147045416, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000038147045416, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000019073504518, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000019073504518, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000009536747712, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000009536747712, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000000476837272, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000000476837272, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000002384186075, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000002384186075, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000001192092967, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000001192092967, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000596046466, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000596046466, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000298023228, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000298023228, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000149011612, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000149011612, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000074505806, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0640455879434845, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0315258542292987, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0315258542292987, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0156406127313433, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0156406127313433, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0077899645915032, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0077899645915032, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0038874262543103, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0038874262543103, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019418277795924, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019418277795924, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009704430099784, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0640455879434845, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0315258542292987, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0315258542292987, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0156406127313433, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0156406127313433, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0077899645915032, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0077899645915032, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0038874262543103, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0038874262543103, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019418277795924, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019418277795924, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009704430099784, iterations = 1. Saving the current entropy to entropy.csv Initial energy: 4.294887185096741 eV [ Info: Iteration: 1, f = 2.718281828459045, current_energy = 4.532614630234259 eV, acceptance rate = 0.98 [ Info: Iteration: 2, f = 2.718281828459045, current_energy = 2.642501158677909 eV, acceptance rate = 0.98 ┌ Warning: Maximum number of iterations reached! └ @ FreeBird.SamplingSchemes ~/.julia/packages/FreeBird/bFclB/src/SamplingSchemes/wang_landau.jl:315 Initial energy: 4.294887185096741 eV [ Info: Iteration: 1, f = 2.718281828459045, current_energy = 4.227732443465847 eV, acceptance rate = 1.0 [ Info: Update f = 1.6487212707001282, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6487212707001282, current_energy = 2.607730659568295 eV, acceptance rate = 1.0 [ Info: Update f = 1.2840254166877414, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2840254166877414, current_energy = 3.2001755725232544 eV, acceptance rate = 1.0 [ Info: Update f = 1.1331484530668263, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1331484530668263, current_energy = 1.8413235205537406 eV, acceptance rate = 1.0 [ Info: Update f = 1.0644944589178595, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0644944589178595, current_energy = 2.4615056808787825 eV, acceptance rate = 1.0 [ Info: Update f = 1.0317434074991028, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0317434074991028, current_energy = 1.7121633427533767 eV, acceptance rate = 1.0 [ Info: Update f = 1.0157477085866857, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0157477085866857, current_energy = 3.029463178045015 eV, acceptance rate = 1.0 [ Info: Update f = 1.007843097206448, iterations = 1 [ Info: Saving the current entropy to entropy.csv Test Summary: | Pass Total Time SamplingSchemes Tests | 209 209 54.0s Test Summary: | Pass Total Time FreeBirdIO Tests | 51 51 17.9s Testing FreeBird tests passed Testing completed after 199.87s PkgEval succeeded after 389.23s